methyl 3-[3-[2-benzamido-4-(4-carbamimidoylphenyl)phenyl]-2-oxidanylidene-imidazolidin-1-yl]propanoate hydrochloride

Systemtic Name: methyl 3-[3-[2-benzamido-4-(4-carbamimidoylphenyl)phenyl]-2-oxidanylidene-imidazolidin-1-yl]propanoate hydrochloride Openeye Name: methyl 3-[3-[2-benzamido-4-(4-carbamimidoylphenyl)phenyl]-2-oxo-imidazolidin-1-yl]propanoate hydrochloride CAS Name: 3-[3-[2-benzamido-4-(4-carbamimidoylphenyl)phenyl]-2-oxo-1-imidazolidinyl]propanoic acid methyl ester hydrochloride IUPAC Name: methyl 3-[3-[2-benzamido-4-(4-carbamimidoylphenyl)phenyl]-2-oxoimidazolidin-1-yl]propanoate hydrochloride Traditional Name: 3-[3-[4-(4-amidinophenyl)-2-benzamido-phenyl]-2-keto-imidazolidin-1-yl]propionic acid methyl ester hydrochloride Formula: C27H28ClN5O4 MolecularWeight: 521.99532

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCN1CCN(C1=O)C2=C(C=C(C=C2)C3=CC=C(C=C3)C(=N)N)NC(=O)C4=CC=CC=C4.Cl

Isomeric SMILES

COC(=O)CCN1CCN(C1=O)C2=C(C=C(C=C2)C3=CC=C(C=C3)C(=N)N)NC(=O)C4=CC=CC=C4.Cl

InChI

InChI=1S/C27H27N5O4.ClH/c1-36-24(33)13-14-31-15-16-32(27(31)35)23-12-11-21(18-7-9-19(10-8-18)25(28)29)17-22(23)30-26(34)20-5-3-2-4-6-20;/h2-12,17H,13-16H2,1H3,(H3,28,29)(H,30,34);1H